SCHEMBL30879831

SCHEMBL30879831

Brc1ccc(OCc2ccccc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 1/20 0.58
▸ LMNA P02545 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ MAOB P27338 4/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ MAOA P21397 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ POLB P06746 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1103901 1.00 P4HTM (0.58) P4HTMLMNACYP1A2PTGS1SLC6A2
SCHEMBL8617206 0.88 RAB9A (0.57) LMNACYP1A2PTGS1SLC6A2CYP2C19
Formic Acid Methyl Ester SCHEMBL27957057 0.88 P4HTM (0.51) P4HTMLMNACYP1A2PTGS1SLC6A2
SCHEMBL6212230 0.84 LMNA (0.50) P4HTMLMNACYP1A2PTGS1SLC6A2
SCHEMBL18429796 0.82 APP (0.64) —
Hydrochloric Acid SCHEMBL16758004 0.82 CHRNB2 (0.41) P4HTMSMN1; SMN2MEN1KMT2A
SCHEMBL15633170 0.82 APP (0.54) MAOBRAB9ASMN1; SMN2NPC1POLB
SCHEMBL2370266 0.82 MAOB (0.63) MAOBMAOANR4A2
SCHEMBL12854780 0.81 APP (0.52) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8613941 0.81 ALOX5 (0.59) MAOBRAB9ASMN1; SMN2MAPTMAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240139194-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2024-05-02 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240139194-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 P4HTM 3511/4885LMNA 4217/4885CYP1A2 1982/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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